N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-(4-cyclopentylpiperazin-1-yl)ethanamide

Systemtic Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-(4-cyclopentylpiperazin-1-yl)ethanamide Openeye Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-(4-cyclopentylpiperazin-1-yl)acetamide CAS Name: N-[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]-2-(4-cyclopentyl-1-piperazinyl)acetamide IUPAC Name: N-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-(4-cyclopentylpiperazin-1-yl)acetamide Traditional Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-(4-cyclopentylpiperazino)acetamide Formula: C25H35N7O2 MolecularWeight: 465.5911

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)CN2CCN(CC2)C3CCCC3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)CN2CCN(CC2)C3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C25H35N7O2/c1-19(33)26-11-12-27-22-17-23(30-25(29-22)20-7-3-2-4-8-20)28-24(34)18-31-13-15-32(16-14-31)21-9-5-6-10-21/h2-4,7-8,17,21H,5-6,9-16,18H2,1H3,(H,26,33)(H2,27,28,29,30,34)